N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-3-[4-(diethylsulfamoyl)phenyl]propionamide Formula: C23H29N3O3S2 MolecularWeight: 459.62466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CCC(=O)NCCSCC2=CC=CC=C2C#N

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CCC(=O)NCCSCC2=CC=CC=C2C#N

InChI

InChI=1S/C23H29N3O3S2/c1-3-26(4-2)31(28,29)22-12-9-19(10-13-22)11-14-23(27)25-15-16-30-18-21-8-6-5-7-20(21)17-24/h5-10,12-13H,3-4,11,14-16,18H2,1-2H3,(H,25,27)